Search Result "natural bond orbital"
Structure and Bonding
Ebook: Basics of Organic Chemistry: A Textbook for Undergraduate Students
Volume: 1 Year: 2024
Author(s):
Doi: 10.2174/9789815223224124010003
Localization and Localizability in Quantum Organic Chemistry: Localized Orbitals and Localization Functions
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3555-3565
Author(s): Bernard Silvi, Peter Reinhardt
Structure of Water: Acid-Base and Buffers; Hydrogen Bonding
Ebook: Biochemistry: Fundamentals and Bioenergetics
Volume: 1 Year: 2021
Author(s): Nivedita Rai,Shilpa Saikia,Meera Yadav,Hardeo Singh Yadav
Doi: 10.2174/9781681088471121010005
Effect of the Intramolecular Hydrogen Bond on the Active Metabolite Analogs of Leflunomide for Blocking the Plasmodium falciparum Dihydroorotate Dehydrogenase Enzyme: QTAIM, NBO, and Docking Study
Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 3 Year: 2021 Page: 480-491
Author(s): Reihaneh Heidarian,Mansoureh Zahedi-Tabrizi
Rhodium-Catalyzed C-C Bond Cleavage Reactions
Journal: Current Organic Chemistry
Volume: 11 Issue: 1 Year: 2007 Page: 1566-1591
Author(s): David Necas, Martin Kotora
Molecular Conformational Analysis, Spectroscopic Characterization, Intramolecular Hydrogen Bonding and Natural Bond Analysis of (E,Z)-2-(4- Amino-5-oxo-3-(thiophene-2-ylmethyl)-4,5-dihydro-1,2,4-triazole-1-yl)-N'- (thiophene-2-ylmethylene) Acetohydrazide
Journal: Letters in Organic Chemistry
Volume: 16 Issue: 3 Year: 2019 Page: 215-225
Author(s): Abdurrahman Atalay,Fatih Ãelik,Yasemin Ãnver,Kemal Sancak,Kamil Kaygusuz
Effect of Molecular Hardness on Ionic Characters, Bond Lengths, Bond Force Constants and Melting Points of Alkali Halides
Journal: Current Physical Chemistry
Volume: 7 Issue: 2 Year: 2017 Page: 159-164
Author(s): Savas Kaya,Cemal Kaya,Ilkay UÄurlu
Investigation of the Correlation between Geometrical Relationship andthe Anomeric effect on Conformational Reactivities and Analyze the1, 4-elimination
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 2 Year: 2023 Page: 97-107
Author(s):
Intramolecular Electron Transfer: Computational Study Based on the Orbital Deletion Procedure (ODP)
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 779-790
Author(s): Yirong Mo
Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o-Quinodimethanes by Semi-Empirical Molecular Orbital Calculation
Journal: Letters in Organic Chemistry
Volume: 8 Issue: 2 Year: 2011 Page: 138-142
Author(s): Keisuke Chino, Takeshi Endo